SCHEMBL21241558

SCHEMBL21241558

CCCS(=O)(=O)Nc1ccc(F)c(NC(=O)c2nn(Cc3ccc(OC)cc3)c3ncc(-c4ccc(Cl)cc4)cc23)c1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 11/20 0.48
RIPK2 O43353 1/20 0.48
ABCB11 O95342 1/20 0.48
EGFR P00533 1/20 0.48
KRAS P01116 1/20 0.48
RAF1 P04049 1/20 0.48
PGR P06401 1/20 0.48
RET P07949 1/20 0.48
CHRM2 P08172 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
ARAF P10398 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
FECH P22830 1/20 0.48
KDR P35968 1/20 0.48
MAP2K2 P36507 1/20 0.48
TGFBR2 P37173 1/20 0.48
NEK2 P51955 1/20 0.48
MAP2K1 Q02750 1/20 0.48
TNK2 Q07912 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21241584 0.86 BRAF (0.54) BRAFRIPK2ABCB11EGFRKRAS
SCHEMBL21241578 0.82 BRAF (0.47) BRAFRIPK2ABCB11EGFRKRAS
SCHEMBL23098881 0.78 MAP2K4 (0.61) BRAFRIPK2ABCB11EGFRKRAS
SCHEMBL26971232 0.76 MEN1 (0.45)
SCHEMBL1592983 0.76 BRAF (0.64) BRAF
SCHEMBL1593217 0.76 BRAF (0.59) BRAF
SCHEMBL21241582 0.76 BRAF (0.51) BRAF
SCHEMBL26971230 0.75 PTPN11 (0.48)
SCHEMBL1592874 0.75 BRAF (0.62) BRAF
SCHEMBL20399198 0.75 BRAF (0.77) BRAFRIPK2ABCB11EGFRKRAS

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858927-B2 Protein kinase MKK4 inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death HEPAREGENIX GMBH (DE) 2024-01-02 US disclosed
WO-2019149738-A1 PROTEIN KINASE MKK4 INHIBITORS FOR PROMOTING LIVER REGENERATION OR REDUCING OR PREVENTING HEPATOCYTE DEATH HEPAREGENIX GMBH (DE) 2019-08-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11858927-B2 Protein kinase MKK4 inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death MAPK4, MAP3K4, MAP4K1 BRAF 82/4885RIPK2 94/4885ABCB11 2300/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.